1MQ1

ca2+-s100b-trtk-12 complex

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 42
  • Norm. En. per Res.: -4.4104
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-12.7396	54.1069	-301.065	-259.6977	114	39	14	14442	4	49	55
A-C	-7.4244	-26.6978	-151.116	-185.2382	42	24	4	6449	2	14	10
A-D	-3.7768	0.0	-5.741	-9.5178	12	0	0	417	0	3	5
B-C	-3.8361	0.0	-5.7841	-9.6202	12	0	0	418	0	3	5
B-D	-7.3742	-26.6529	-151.027	-185.0542	42	23	4	6449	2	14	10

Interface residues

• A-B: ALA6A, ALA6B, ALA75A, ALA75B, ALA78A, ALA78B, ALA83A, ALA83B, ALA9A, ALA9B, ASN38A, ASN38B, ASN62A, ASN62B, ASP12A, ASP12B, ASP23A, ASP23B, ASP63A, ASP63B, ASP69A, ASP69B, CYS84A, CYS84B, GLN16A, GLN16B, GLN71A, GLN71B, GLU2A, GLU2B, GLU39A, GLU39B, GLU45A, GLU45B, GLU46A, GLU46B, GLU4A, GLU4B, GLU72A, GLU72B, GLU86A, GLU86B, GLU89A, GLU89B, HIS15A, HIS15B, HIS25A, HIS25B, HIS42A, HIS42B, HIS85A, HIS85B, HIS90A, HIS90B, ILE11A, ILE11B, ILE36A, ILE36B, ILE47A, ILE47B, LEU10A, LEU10B, LEU32A, LEU32B, LEU35A, LEU35B, LEU3A, LEU3B, LEU40A, LEU40B, LEU44A, LEU44B, LYS24A, LYS24B, LYS26A, LYS26B, LYS5A, LYS5B, MET74A, MET74B, MET79A, MET79B, MET7A, MET7B, PHE14A, PHE14B, PHE43A, PHE43B, PHE70A, PHE70B, PHE73A, PHE73B, PHE76A, PHE76B, PHE87A, PHE87B, PHE88A, PHE88B, SER1A, SER1B, SER41A, SER41B, THR81A, THR81B, THR82A, THR82B, VAL13A, VAL13B, VAL77A, VAL77B, VAL80A, VAL80B, VAL8A, VAL8B
• A-C: ALA75A, ALA78A, ALA83A, ARG2C, ASN8C, ASP54A, ASP61A, ASP6C, CYS84A, GLU45A, GLU46A, GLU49A, GLU51A, GLU58A, GLU86A, HIS85A, ILE10C, ILE47A, ILE5C, LEU11C, LEU44A, LEU60A, LYS48A, LYS4C, LYS55A, LYS9C, MET57A, MET79A, PHE76A, PHE87A, PHE88A, SER12C, THR1C, THR3C, THR59A, THR81A, THR82A, TRP7C, VAL52A, VAL53A, VAL56A, VAL80A
• A-D: ALA75A, ARG2D, ASN62A, ASP63A, ASP69A, ASP6D, GLN71A, GLU72A, HIS25A, LYS26A, PHE70A, THR1D
• B-C: ALA75B, ARG2C, ASN62B, ASP63B, ASP69B, ASP6C, GLN71B, GLU72B, HIS25B, LYS26B, PHE70B, THR1C
• B-D: ALA75B, ALA78B, ALA83B, ARG2D, ASN8D, ASP54B, ASP61B, ASP6D, CYS84B, GLU45B, GLU46B, GLU49B, GLU51B, GLU58B, GLU86B, HIS85B, ILE10D, ILE47B, ILE5D, LEU11D, LEU44B, LEU60B, LYS48B, LYS4D, LYS55B, LYS9D, MET57B, MET79B, PHE76B, PHE87B, PHE88B, SER12D, THR1D, THR3D, THR59B, THR81B, THR82B, TRP7D, VAL52B, VAL53B, VAL56B, VAL80B